Defects induce phase transition from dynamic to static rippling in graphene.

ABSTRACT: Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks to tailor the material's morphology. While some studies have explored the link between defective structures and rippling dynamics in 2D materials, a comprehensive understanding of this relationship has yet to be achieved. Here, we address this using machine learning-driven molecular dynamics simulations. Specifically, we find that above a critical concentration of defects, free-standing graphene sheets undergo a dynamic transition from freely propagating to static ripples. Our computational approach captures the dynamics with atomic resolution, and reveals that the transition is driven by elastic interactions betw

SUBMITTER: Thiemann FL 

PROVIDER: S-EPMC11892612 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature